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stat.ML updates on arXiv.org

Adaptive multi-fidelity optimization with fast learning rates Enhancing AI and Dynamical Subseasonal Forecasts with Probabilistic Bias Correction Sample Complexity Bounds for Stochastic Shortest Path with a Generative Model The Harder Path: Last Iterate Convergence for Uncoupled Learning in Zero-Sum Games with Bandit Feedback Stylistic-STORM (ST-STORM) : Perceiving the Semantic Nature of Appearance Collective Kernel EFT for Pre-activation ResNets PRIM-cipal components analysis One-Shot Generative Flows: Existence and Obstructions Structural interpretability in SVMs with truncated orthogonal polynomial kernels Amortized Optimal Transport from Sliced Potentials MinShap: A Modified Shapley Value Approach for Feature Selection Unsupervised feature selection using Bayesian Tucker decomposition Multi-User mmWave Beam and Rate Adaptation via Combinatorial Satisficing Bandits Best of both worlds: Stochastic & adversarial best-arm identification Scalable Model-Based Clustering with Sequential Monte Carlo Expert-Guided Class-Conditional Goodness-of-Fit Scores for Interpretable Classification with Informative Missingness: An Application to Seismic Monitoring Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks Gating Enables Curvature: A Geometric Expressivity Gap in Attention Zeroth-Order Optimization at the Edge of Stability Differentially Private Conformal Prediction CLion: Efficient Cautious Lion Optimizer with Enhanced Generalization Generative Augmented Inference Improving Machine Learning Performance with Synthetic Augmentation PAC-MCTS: Bias-Aware Pruning for Robust LLM-Guided Search and Planning Path-Sampled Integrated Gradients Heat and Matérn Kernels on Matchings Doubly Outlier-Robust Online Infinite Hidden Markov Model Momentum Further Constrains Sharpness at the Edge of Stochastic Stability Multistage Conditional Compositional Optimization BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization
Limits of message passing for node classification: How cl...
Jonathan Rubin, Sahil Loomba, Nick S. Jones · 2025-08-25 · via stat.ML updates on arXiv.org

Message passing neural networks (MPNNs) are powerful models for node classification but suffer from performance limitations under heterophily (low same-class connectivity) and structural bottlenecks in the graph. We provide a unifying statistical framework exposing the relationship between heterophily and bottlenecks through the signal-to-noise ratio (SNR) of MPNN representations. The SNR decomposes model performance into feature-dependent parameters and feature-independent sensitivities. We prove that the sensitivity to class-wise signals is bounded by higher-order homophily -- a generalisation of classical homophily to multi-hop neighbourhoods -- and show that low higher-order homophily manifests locally as the interaction between structural bottlenecks and class labels (class-bottlenecks). Through analysis of graph ensembles, we provide a further quantitative decomposition of bottlenecking into underreaching (lack of depth implying signals cannot arrive) and oversquashing (lack of breadth implying signals arriving on fewer paths) with closed-form expressions. We prove that optimal graph structures for maximising higher-order homophily are disjoint unions of single-class and two-class-bipartite clusters. This yields BRIDGE, a graph ensemble-based rewiring algorithm that achieves near-perfect classification accuracy across all homophily regimes on synthetic benchmarks and significant improvements on real-world benchmarks, by eliminating the ``mid-homophily pitfall'' where MPNNs typically struggle, surpassing current standard rewiring techniques from the literature. Our framework, whose code we make available for public use, provides both diagnostic tools for assessing MPNN performance, and simple yet effective methods for enhancing performance through principled graph modification.